SCHEMBL2050391

SCHEMBL2050391

c1ccc2c(c1)[nH]c1c3ccoc3ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.55
▸ GABRP O00591 2/20 0.49
▸ GABRD O14764 2/20 0.49
▸ GABRA1 P14867 2/20 0.49
▸ GABRB1 P18505 2/20 0.49
▸ GABRG2 P18507 2/20 0.49
▸ GABRB3 P28472 2/20 0.49
▸ GABRA5 P31644 2/20 0.49
▸ GABRA3 P34903 2/20 0.49
▸ GABRA2 P47869 2/20 0.49
▸ GABRB2 P47870 2/20 0.49
▸ GABRA4 P48169 2/20 0.49
▸ GABRE P78334 2/20 0.49
▸ GABRA6 Q16445 2/20 0.49
▸ GABRG1 Q8N1C3 2/20 0.49
▸ GABRG3 Q99928 2/20 0.49
▸ GABRQ Q9UN88 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ GPR3 P46089 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30560782 1.00 KIF11 (0.55) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL28060891 0.80 PARP14 (0.46) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL13563976 0.80 KIF11 (0.78) KIF11GABRPGABRDGABRA1GABRB1
Benzofuran SCHEMBL28723745 0.79 KIF11 (0.70) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL191347 0.76 KIF11 (0.71) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL29378455 0.76 KIF11 (0.71) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL20426692 0.75 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15200583 0.74 KIF11 (0.58) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL17433180 0.74 KIF11 (0.53) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL9550546 0.72 ALDH1A1 (0.56) KIF11GABRPGABRDGABRA1GABRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336315-B1 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION AS (DK) 2017-07-19 — — EP claimed
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 — — EP claimed
CN-117624186-A Organic compound, electro-optical device, electronic apparatus, and electronic device 三星显示有限公司 2024-03-01 — — CN disclosed
CN-117295399-A Novel microparticles containing active substances 巴斯夫欧洲公司 2023-12-26 — — CN disclosed
US-20230286882-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED REACTION COMPOSITION LG CHEM, LTD. (KR) 2023-09-14 — — US disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 — — US disclosed
CN-116326249-A Method for preparing deuterated aromatic compounds and deuterated reaction compositions 株式会社LG化学 2023-06-23 — — CN disclosed
EP-4177238-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED COMPOSITION Lg Chem, Ltd. (KR) 2023-05-10 — — EP disclosed
US-20230018666-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND, AND DEUTERATED REACTIVE COMPOSITION LG CHEM, LTD. (KR) 2023-01-19 — — US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
CN-114761388-A Method for preparing deuterated aromatic compounds and deuterated reaction compositions 株式会社LG化学 2022-07-15 — — CN disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 — — EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 — — WO disclosed
EP-2341140-A1 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-07-06 — — EP disclosed
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 — — EP disclosed
EP-1957644-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2010-12-01 — — EP disclosed
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2009-10-22 — — US disclosed
EP-1957644-A2 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES Nuevolution A/S (DK) 2008-08-20 — — EP disclosed
WO-2007062664-A2 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2007-06-07 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230018666-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND, AND DEUTERATED REACTIVE COMPOSITION AHR, TYR, ARNT KIF11 946/4885GABRP 4546/4885GABRD 2338/4885
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES RNGTT, DUT, EMG1 KIF11 2142/4885GABRP 2796/4885GABRD 1665/4885
US-20230286882-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED REACTION COMPOSITION AHR, PAH, HDHD5 KIF11 1032/4885GABRP 3815/4885GABRD 1320/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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